[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O6S/c28-23(18-6-4-7-20(16-18)27(31)32)17-33-25(30)11-5-10-24(29)26-19-12-14-22(15-13-19)34-21-8-2-1-3-9-21/h1-4,6-9,12-16H,5,10-11,17H2,(H,26,29)